Bis[μ-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-κ2N:N′]bis[dichloridozinc(II)] N,N′-dimethylformamide disolvate

Cheng, L.; Zhang, Y.-W.; Sun, Y.-Y.; Zhang, G.

doi:10.1107/S1600536808027773

Volume 64
Part 10
Page m1236
October 2008

Received 28 August 2008
Accepted 29 August 2008
Online 6 September 2008

Key indicators
Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.003 Å
R = 0.035
wR = 0.088
Data-to-parameter ratio = 16.9
Details

Bis[-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-²N:N']bis[dichloridozinc(II)] N,N'-dimethylformamide disolvate

Lin Cheng,^a ^* Ya-Wen Zhang,^a Yan-Yan Sun ^a and Gong Zhang ^b

^aDepartment of Chemistry and Chemical Engineering, Southeast University, Nanjing, People's Republic of China, and ^bDepartment of Chemistry and Chemical Engineering, State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing, People's Republic of China
Correspondence e-mail: cep02chl@yahoo.com.cn

The title compound, [Zn₂Cl₄(C₁₂H₁₄N₄)₂]·2C₃H₇NO, is located on a centre of inversion with one half of a complex molecule and one dimethylformamide solvent molecule in the asymmetric unit. The Zn^II ion is tetrahedrally coordinated by two organic ligands and two chloride ions. Each organic ligand acts as a bidentate ligand, connecting two Zn^II ions, resulting in a dimeric [2:2] metallamacrocyclic structure. Adjacent molecules are further linked by N-HCl hydrogen bonds and the solvent is linked to the complex by N-HO hydrogen bonds.

Related literature

For related structures, see: Ren et al. (2004, 2007).

Experimental

Crystal data

[Zn₂Cl₄(C₁₂H₁₄N₄)₂]·2C₃H₇NO
M_r = 847.28
Monoclinic, P 2₁ /c
a = 8.1774 (11) Å
b = 8.5032 (12) Å
c = 27.097 (4) Å
= 92.890 (2)°
V = 1881.8 (4) Å³
Z = 2
Mo K radiation
= 1.60 mm^-1
T = 123 (2) K
0.43 × 0.27 × 0.20 mm

Data collection

Bruker APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2000) T_min = 0.546, T_max = 0.740
13375 measured reflections
3659 independent reflections
3215 reflections with I > 2(I)
R_int = 0.043

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.087
S = 1.05
3659 reflections
217 parameters
H-atom parameters constrained
_max = 0.54 e Å^-3
_min = -0.48 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1CCl2ⁱ	0.88	2.74	3.241 (2)	117
N3-H3AO1	0.88	2.12	2.870 (3)	143
Symmetry code: (i) x, y-1, z.

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT2778 ).

Acknowledgements

The authors thank the Program for Young Excellent Talents in Southeast University for financial support.

References

Bruker (2000). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Ren, C.-X., Cheng, L., Ye, B.-H. & Chen, X.-M. (2007). Inorg. Chim. Acta, 360, 3741-3747.
Ren, C.-X., Ye, B.-H., He, F., Cheng, L. & Chen, X.-M. (2004). CrystEngComm, 6, 200-206.
Sheldrick, G. M. (2000). SADABS. University of Göttingen.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Bis[-1,3-bis(4,5-dihydroimidazol-2-yl)benzene-2N:N']bis[dichloridozinc(II)] N,N'-dimethylformamide disolvate